SCHEMBL3194497

SCHEMBL3194497

CC=CCCCC=COC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.34
ALDH1A1 P00352 8/20 0.33
PPARG P37231 6/20 0.33
PPARD Q03181 5/20 0.33
PPARA Q07869 5/20 0.33
CYP3A4 P08684 5/20 0.33
MAPT P10636 5/20 0.33
F7 P08709 5/20 0.33
F3 P13726 5/20 0.33
LMNA P02545 4/20 0.33
CYP19A1 P11511 4/20 0.33
PTGS1 P23219 4/20 0.33
RECQL P46063 3/20 0.33
KMT2A Q03164 3/20 0.33
ADORA3 P0DMS8 2/20 0.33
USP2 O75604 2/20 0.33
NR1I2 O75469 2/20 0.33
PTGS2 P35354 2/20 0.33
OXER1 Q8TDS5 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20503587 0.94 SOAT1 (0.40) SOAT1ALDH1A1PPARGPPARDPPARA
SCHEMBL5530196 0.94 SOAT1 (0.40) SOAT1ALDH1A1PPARGPPARDPPARA
SCHEMBL31019570 0.94 SOAT1 (0.40) SOAT1ALDH1A1PPARGPPARDPPARA
SCHEMBL6568190 0.94 SOAT1 (0.40) SOAT1ALDH1A1PPARGPPARDPPARA
SCHEMBL6568193 0.94 SOAT1 (0.40) SOAT1ALDH1A1PPARGPPARDPPARA
SCHEMBL5530775 0.94 SOAT1 (0.40) SOAT1ALDH1A1PPARGPPARDPPARA
SCHEMBL31703821 0.94 SOAT1 (0.40) SOAT1ALDH1A1PPARGPPARDPPARA
SCHEMBL17674565 0.91 PPARG (0.33) ALDH1A1PPARGPPARDPPARAALOX15
SCHEMBL27133071 0.82 SOAT1 (0.49) SOAT1ALDH1A1PPARGPPARDPPARA
SCHEMBL19333596 0.82 ALDH1A1 (0.33) ALDH1A1LMNAPTGS1ALOX15HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104672089-B 3- (hexamethylene -1- alkene -1- base) propionic ester and its application in spice composition 国际香料和香精公司 2019-10-15 CN disclosed
CN-104560391-B 3- methl-benzofuran -5- alcohol and its purposes in spice composition 国际香料和香精公司 2019-06-04 CN disclosed
CN-104140405-B New diethylmethyl hexahydro isobenzofuran and its application in perfume compositions 国际香料和香精公司 2018-03-02 CN disclosed
CN-104140407-B The alkene of oxaspiro [4.5] last of the ten Heavenly stems of 3,3 diethyl alkyl 27 and its application in perfume compositions 国际香料和香精公司 2017-12-12 CN disclosed
CN-103539636-B 3(or 2),4,5-trimethyl-octahydro-4,7-methano-inden-5-ol and its use in perfume compositions 国际香料和香精公司 2017-04-12 CN disclosed
EP-2804579-A1 NOVEL ORGANOLEPTIC COMPOUNDS International Flavors & Fragrances Inc. (US) 2014-11-26 EP disclosed
CN-103360324-A Novel pyrimidine derivatives and their use in perfume compositions INT FLAVORS & FRAGRANCES INC 2013-10-23 CN disclosed
WO-2013109837-A1 NOVEL ORGANOLEPTIC COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2013-07-25 WO disclosed
US-20100115708-A1 Laundry System Having Unitized Dosing CASWELL DEBRA SUE 2010-05-13 US disclosed
US-20100035789-A1 Laundry System Having Unitized Dosing CASWELL DEBRA SUE 2010-02-11 US disclosed
US-20050202990-A1 Laundry system having unitized dosing THE PROCTER & GAMBLE COMPANY 2005-09-15 US disclosed
US-20050176611-A1 Laundry system having unitized dosing CASWELL DEBRA S (CN) 2005-08-11 US disclosed
US-20050079993-A1 Highly concentrated fabric softener compositions and articles containing such compositions THE PROCTER & GAMBLE COMPANY CORPORATION 2005-04-14 US disclosed
WO-2005019139-A2 PROCESS FOR PRODUCING 1-OCTENE FROM BUTADIENE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V (NL) 2005-03-03 WO disclosed
US-6451065-B2 CONTACTING WITH A MIXTURE OF PERFUME, A METALLIC SALT, SUCH AS ZINC CHLORIDE, AN OPTIONAL SOLUBILIZER, AND AQUEOUS CARRIER; DOES NOT SOIL OR STAIN FABRIC THE PROCTER & GAMBLE COMPANY 2002-09-17 US disclosed
EP-1165477-A1 METHOD FOR PRODUCING ALKAPOLYENYL COMPOUNDS USING CERTAIN COCATALYSTS BASF AKTIENGESELLSCHAFT (DE) 2002-01-02 EP disclosed
WO-2000059854-A1 METHOD FOR PRODUCING ALKAPOLYENYL COMPOUNDS USING CERTAIN COCATALYSTS BASF AKTIENGESELLSCHAFT (DE) 2000-10-12 WO disclosed
EP-0793636-A1 PROCESS FOR THE PREPARATION OF AN ALDEHYDE DSM N.V. (NL) 1997-09-10 EP disclosed
WO-1996016923-A1 PROCESS FOR THE PREPARATION OF AN ALDEHYDE DSM N.V. (NL) 1996-06-06 WO disclosed
US-5118837-A Reaction of olefinic double bond in presence of other, less reactive olefinic double bonds; modified ruthenium catalyst with trivalent phosphorus or nitrogen or divalent sulfur compound GIVAUDAN CORPORATION (US) 1992-06-02 US disclosed